MDPI-ZINC03844226 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 22 0 0 0 0 0 0 0 0999 V2000 -0.1490 1.3940 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 0.1170 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -0.2610 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 0.7420 0.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 1.7550 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4150 0.7200 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 -0.0580 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5700 -0.1100 0.7680 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1670 0.6580 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4760 1.4530 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0710 1.4800 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3820 2.2430 -2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 1.5840 -2.8570 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0400 1.9970 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -0.4730 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 -1.1890 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 2.6770 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 -0.6580 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2520 0.6100 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0140 2.0330 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 3.4770 -2.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 14 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 M CHG 1 13 -1 M END